2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine

C19H36FN3 — CID 123749120

IUPAC2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine
SMILESCCC1(N)CCCC(C2CCCNC2C2CCC(F)C(C)C2)N1
InChIInChI=1S/C19H36FN3/c1-3-19(21)10-4-7-17(23-19)15-6-5-11-22-18(15)14-8-9-16(20)13(2)12-14/h13-18,22-23H,3-12,21H2,1-2H3
InChIKeyNWPJDSMTBWFTIY-UHFFFAOYSA-N
MW325.52 g/mol
LogP3.34
Rot. Bonds3

About 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine

2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine (PubChem CID 123749120) has the molecular formula C19H36FN3 and a molecular weight of 325.52 g/mol. Its IUPAC name is 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine.

Molecular Properties

Compound Name2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine
PubChem CID123749120
Molecular FormulaC19H36FN3
Molecular Weight325.52 g/mol
Exact Mass325.29
IUPAC Name2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine
SMILESCCC1(N)CCCC(C2CCCNC2C2CCC(F)C(C)C2)N1
InChIInChI=1S/C19H36FN3/c1-3-19(21)10-4-7-17(23-19)15-6-5-11-22-18(15)14-8-9-16(20)13(2)12-14/h13-18,22-23H,3-12,21H2,1-2H3
InChIKeyNWPJDSMTBWFTIY-UHFFFAOYSA-N
XLogP3.34
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine?
The IUPAC name of 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine (CID 123749120) is 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine.
What is the SMILES notation for 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine?
The canonical SMILES for 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine is CCC1(N)CCCC(C2CCCNC2C2CCC(F)C(C)C2)N1.
What is the InChIKey of 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine?
The InChIKey is NWPJDSMTBWFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FN3/c1-3-19(21)10-4-7-17(23-19)15-6-5-11-22-18(15)14-8-9-16(20)13(2)12-14/h13-18,22-23H,3-12,21H2,1-2H3.
What are the key properties of 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine?
2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine has a molecular weight of 325.52 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]piperidin-2-amine is sourced from PubChem (CID 123749120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).